Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PRKCA | P17252 | 4/20 | 0.38 |
| ▸ | PRKCE | Q02156 | 2/20 | 0.38 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.38 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | DGKA | P23743 | 1/20 | 0.35 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9756867 | 0.82 | MAPT (0.52) | MAPTCYP3A4TSHRATMTDP1 | |
| SCHEMBL28465647 | 0.81 | CYP3A4 (0.56) | MAPTCYP3A4TSHRATMTDP1 | |
| SCHEMBL9756895 | 0.81 | LMNA (0.49) | MAPTCYP3A4TSHRATMTDP1 | |
| SCHEMBL2251000 | 0.81 | LMNA (0.49) | MAPTCYP3A4TSHRATMTDP1 | |
| SCHEMBL28423604 | 0.79 | MAPT (0.48) | MAPTCYP3A4TSHRATMTDP1 | |
| SCHEMBL29473913 | 0.79 | MAPT (0.48) | MAPTCYP3A4TSHRATMTDP1 | |
| SCHEMBL985280 | 0.79 | MAPT (0.48) | MAPTCYP3A4TSHRATMTDP1 | |
| SCHEMBL28323463 | 0.79 | MAPT (0.59) | MAPTCYP3A4TSHRATMTDP1 | |
| SCHEMBL29149159 | 0.77 | MAPT (0.41) | MAPTCYP3A4TSHRATMTDP1 | |
| SCHEMBL28964008 | 0.77 | MAPT (0.45) | MAPTCYP3A4TSHRATMTDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112898159-B | Ester compound and preparation method and application thereof | 东莞波顿香料有限公司 | 2022-08-26 | — | — | CN | disclosed |
| CN-112898159-A | Ester compound and preparation method and application thereof | 东莞波顿香料有限公司 | 2021-06-04 | — | — | CN | disclosed |